Fast prediction of minimum ignition energy from molecular structure using simple QSPR model Academic Article

authors

• Wang, Qingsheng

published proceedings

• JOURNAL OF LOSS PREVENTION IN THE PROCESS INDUSTRIES

author list (cited authors)

• Wang, B., Zhou, L., Xu, K., & Wang, Q.

citation count

• 16

complete list of authors

• Wang, Beibei||Zhou, Lulu||Xu, Kaili||Wang, Qingsheng

publication date

• November 2017

publisher

• Elsevier  Publisher

published in

• JOURNAL OF LOSS PREVENTION IN THE PROCESS INDUSTRIES  Journal

keywords

• Density Functional Theory
• Gaussian 09
• Minimum Ignition Energy
• Quantitative Structure-property Relationship
• Semi-empirical Calculations

Digital Object Identifier (DOI)

• 10.1016/j.jlp.2017.10.010

start page

• 290

end page

• 294

volume

• 50

URL

• http://dx.doi.org/10.1016/j.jlp.2017.10.010